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Substance Name: Hexanoic acid, 2-(3-acetamido-2,4,6-triiodophenoxy)-, sodium salt
RN: 1040-21-7
InChIKey: CESZOIFVTBWMHC-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H15-I3-N-O4.Na

Molecular Weight

  • 664.966
 
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Names and Synonyms

Synonym

  • 2-(3-Acetamido-2,4,6-triiodophenoxy)hexanoic acid sodium salt

Systematic Name

  • Hexanoic acid, 2-(3-acetamido-2,4,6-triiodophenoxy)-, sodium salt

Registry Numbers

CAS Registry Number

  • 1040-21-7

System Generated Number

  • 0001040217

Molecular Formulas

Molecular Formula

  • C14-H15-I3-N-O4.Na

Molecular Formula Fragments

  • C14-H15-I3-N-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C14H16I3NO4.Na/c1-3-4-5-10(14(20)21)22-13-9(16)6-8(15)12(11(13)17)18-7(2)19;/h6,10H,3-5H2,1-2H3,(H,18,19)(H,20,21);/q;+1/p-1

InChIKey

CESZOIFVTBWMHC-UHFFFAOYSA-M

Smiles

c1(c(c(c(I)cc1I)NC(C)=O)I)O[C@@H](CCCC)C(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 300mg/kg (300mg/kg)   Chimica Therapeutica. Vol. 2, Pg. 57, 1967.